3-[2-methyl-4-[[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methyl]phenoxy]pyridine

C20H23N5O — CID 126784882

IUPAC3-[2-methyl-4-[[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methyl]phenoxy]pyridine
SMILESCc1cc(CN2CCCC(n3cncn3)C2)ccc1Oc1cccnc1
InChIInChI=1S/C20H23N5O/c1-16-10-17(6-7-20(16)26-19-5-2-8-21-11-19)12-24-9-3-4-18(13-24)25-15-22-14-23-25/h2,5-8,10-11,14-15,18H,3-4,9,12-13H2,1H3
InChIKeyQJNRQZYYTGOMGO-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.61
Rot. Bonds5

About 3-[2-methyl-4-[[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methyl]phenoxy]pyridine

3-[2-methyl-4-[[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methyl]phenoxy]pyridine (PubChem CID 126784882) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 3-[2-methyl-4-[[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methyl]phenoxy]pyridine.

Molecular Properties

Compound Name3-[2-methyl-4-[[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methyl]phenoxy]pyridine
PubChem CID126784882
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name3-[2-methyl-4-[[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methyl]phenoxy]pyridine
SMILESCc1cc(CN2CCCC(n3cncn3)C2)ccc1Oc1cccnc1
InChIInChI=1S/C20H23N5O/c1-16-10-17(6-7-20(16)26-19-5-2-8-21-11-19)12-24-9-3-4-18(13-24)25-15-22-14-23-25/h2,5-8,10-11,14-15,18H,3-4,9,12-13H2,1H3
InChIKeyQJNRQZYYTGOMGO-UHFFFAOYSA-N
XLogP3.61
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-methyl-4-[[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methyl]phenoxy]pyridine?
The IUPAC name of 3-[2-methyl-4-[[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methyl]phenoxy]pyridine (CID 126784882) is 3-[2-methyl-4-[[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methyl]phenoxy]pyridine.
What is the SMILES notation for 3-[2-methyl-4-[[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methyl]phenoxy]pyridine?
The canonical SMILES for 3-[2-methyl-4-[[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methyl]phenoxy]pyridine is Cc1cc(CN2CCCC(n3cncn3)C2)ccc1Oc1cccnc1.
What is the InChIKey of 3-[2-methyl-4-[[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methyl]phenoxy]pyridine?
The InChIKey is QJNRQZYYTGOMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-16-10-17(6-7-20(16)26-19-5-2-8-21-11-19)12-24-9-3-4-18(13-24)25-15-22-14-23-25/h2,5-8,10-11,14-15,18H,3-4,9,12-13H2,1H3.
What are the key properties of 3-[2-methyl-4-[[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methyl]phenoxy]pyridine?
3-[2-methyl-4-[[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methyl]phenoxy]pyridine has a molecular weight of 349.44 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methyl-4-[[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methyl]phenoxy]pyridine is sourced from PubChem (CID 126784882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).